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NAcM-OPT

CAT: 0931-T5374-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T5374-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2089293-61-6
Target
E1/E2/E3 Enzyme, NEDD8
Related Pathways
Ubiquitination, Metabolism
Purity
0.9993
Bioactivity
NAcM-OPT is a specific, reversible inhibitor targeting N-Acetyl-UBE2M interaction with DCN1 (IC50: 79 nM) .
Smiles
CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Molecular Formula
C23H29Cl2N3O
Molecular Weight
434.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NAcM-OPT

1-Benzyl-1-(1-butyl-4-piperidinyl)-3-(3,4-dichlorophenyl)urea is a member of ureas.

CAS Number2089293-61-6
PubChem CID126711307
IUPAC Name1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3,4-dichlorophenyl)urea
Molecular FormulaC23H29Cl2N3O
Molecular Weight434.4
XLogP5.7
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity493
SMILES
CCCCN1CCC(CC1)N(CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H29Cl2N3O/c1-2-3-13-27-14-11-20(12-15-27)28(17-18-7-5-4-6-8-18)23(29)26-19-9-10-21(24)22(25)16-19/h4-10,16,20H,2-3,11-15,17H2,1H3,(H,26,29)
InChIKey
VPHJABWIKCBGMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NAcM-OPT
CAS: 2089293-61-6
CID: 126711307
Formula: C23H29Cl2N3O
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass433.1687679
Monoisotopic Mass433.1687679
Topological Polar Surface Area35.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA7382-10NAcM-OPT
A19646-500NAcM-OPT 500mg
A19646-100NAcM-OPT 100mg
A19646-10NAcM-OPT 10mg
HY-111505ANAcM-OPT (hydrochloride)
A19646-50NAcM-OPT 50mg
A19646-5NAcM-OPT 5mg
A19646-25NAcM-OPT 25mg

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